SCHEMBL5407575

SCHEMBL5407575

CCC#CCOc1cc(Oc2cccc(F)c2F)ncn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
CHRM4 P08173 1/20 0.36
MRGPRX1 Q96LB2 5/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAP4K4 O95819 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5410758 0.89 TRPA1 (0.41) TRPA1CHRM4MRGPRX1HTR1ASLC6A2
SCHEMBL5407830 0.80 KMO (0.34) LMNA
SCHEMBL5410645 0.79 MEN1 (0.44) MRGPRX1MAP4K4KMT2AMEN1L3MBTL1
SCHEMBL5410316 0.78 MTNR1A (0.37) CHRM4L3MBTL1
SCHEMBL5414195 0.76
SCHEMBL5410692 0.74 CHRNA7 (0.41) L3MBTL1LMNA
SCHEMBL5420860 0.74 KDR (0.34) CHRM4MRGPRX1KMT2AMEN1L3MBTL1
SCHEMBL395529 0.73 MTNR1A (0.33) CHRM4
SCHEMBL5423439 0.73 MEN1 (0.43) CHRM4MRGPRX1MAP4K4KMT2AMEN1
SCHEMBL5402627 0.73 CHRM4 (0.35) TRPA1CHRM4MRGPRX1MAP4K4KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US claimed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP claimed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US claimed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS TRPA1 877/4885CHRM4 1229/4885MRGPRX1 1977/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD TRPA1 1529/4885CHRM4 2249/4885MRGPRX1 2309/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.